1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea

C17H22N4O — CID 75477406

IUPAC1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea
SMILESCc1cccc(CCNC(=O)Nc2ccc(N(C)C)cn2)c1
InChIInChI=1S/C17H22N4O/c1-13-5-4-6-14(11-13)9-10-18-17(22)20-16-8-7-15(12-19-16)21(2)3/h4-8,11-12H,9-10H2,1-3H3,(H2,18,19,20,22)
InChIKeyDFYJLIGCTADPAE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.82
Rot. Bonds5

About 1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea

1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea (PubChem CID 75477406) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea
PubChem CID75477406
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea
SMILESCc1cccc(CCNC(=O)Nc2ccc(N(C)C)cn2)c1
InChIInChI=1S/C17H22N4O/c1-13-5-4-6-14(11-13)9-10-18-17(22)20-16-8-7-15(12-19-16)21(2)3/h4-8,11-12H,9-10H2,1-3H3,(H2,18,19,20,22)
InChIKeyDFYJLIGCTADPAE-UHFFFAOYSA-N
XLogP2.82
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900857
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108900770
1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900861
1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 99840101
1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812821
1-[2-(3-methylphenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871999
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide
CID 60610481
2-[4-[2-(3-methylphenyl)ethylcarbamoylamino]phenyl]acetic acid
CID 108900747
1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910466
1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108873114

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea?
The IUPAC name of 1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea (CID 75477406) is 1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea is Cc1cccc(CCNC(=O)Nc2ccc(N(C)C)cn2)c1.
What is the InChIKey of 1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea?
The InChIKey is DFYJLIGCTADPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-5-4-6-14(11-13)9-10-18-17(22)20-16-8-7-15(12-19-16)21(2)3/h4-8,11-12H,9-10H2,1-3H3,(H2,18,19,20,22).
What are the key properties of 1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea?
1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea has a molecular weight of 298.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea is sourced from PubChem (CID 75477406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).